# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Kushnerov-O-I-Ryabtsev-S-I-Bashev-V-F--Co-Cr-Fe-Ni-Mn-Al # implementation = 2025--Kushnerov-O-I--Co-Cr-Fe-Ni-Mn-Al--LAMMPS--ipr1 # composition = Fe2MnNi # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2025-07-01 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 2.050278850e+02 2.050278850e+02 1.10 1.889712572e+02 1.889712572e+02 1.12 1.739455340e+02 1.739455340e+02 1.14 1.600607347e+02 1.600607347e+02 1.16 1.474558480e+02 1.474558480e+02 1.18 1.357777170e+02 1.357777170e+02 1.20 1.253682242e+02 1.253682242e+02 1.22 1.154265050e+02 1.154265050e+02 1.24 1.061745801e+02 1.061745801e+02 1.26 9.780145457e+01 9.780143743e+01 1.28 9.002874567e+01 9.002874567e+01 1.30 8.285755751e+01 8.285755751e+01 1.32 7.611137543e+01 7.611137543e+01 1.34 7.012226059e+01 7.012226059e+01 1.36 6.433788039e+01 6.433788039e+01 1.38 5.901312401e+01 5.901312401e+01 1.40 5.407065641e+01 5.407065641e+01 1.42 4.950103533e+01 4.950103533e+01 1.44 4.550742449e+01 4.550742449e+01 1.46 4.174663547e+01 4.174663547e+01 1.48 3.808784720e+01 3.808784720e+01 1.50 3.470395154e+01 3.470395154e+01 1.52 3.165836366e+01 3.165836366e+01 1.54 2.891679525e+01 2.891679525e+01 1.56 2.621340321e+01 2.621340321e+01 1.58 2.374201341e+01 2.374201341e+01 1.60 2.142733247e+01 2.142733247e+01 1.62 1.928719136e+01 1.928719136e+01 1.64 1.730869751e+01 1.730869751e+01 1.66 1.556114976e+01 1.556114976e+01 1.68 1.394348239e+01 1.394348239e+01 1.70 1.236736440e+01 1.236736440e+01 1.72 1.091207195e+01 1.091207195e+01 1.74 9.650852780e+00 9.650852780e+00 1.76 8.403931188e+00 8.403931188e+00 1.78 7.254195947e+00 7.254195947e+00 1.80 6.194649062e+00 6.194649062e+00 1.82 5.327711879e+00 5.327711879e+00 1.84 4.419913888e+00 4.419913888e+00 1.86 3.747037119e+00 3.747037119e+00 1.88 2.965799347e+00 2.965799347e+00 1.90 2.248720552e+00 2.248720552e+00 1.92 1.591190264e+00 1.591190264e+00 1.94 1.030913386e+00 1.030913386e+00 1.96 4.764290540e-01 4.764290540e-01 1.98 -3.014911476e-02 -3.014911476e-02 2.00 -4.922710439e-01 -4.922710439e-01 2.02 -9.131421238e-01 -9.131421238e-01 2.04 -1.295741413e+00 -1.295741413e+00 2.06 -1.642838373e+00 -1.642838373e+00 2.08 -1.957008264e+00 -1.957008264e+00 2.10 -2.167798270e+00 -2.167797859e+00 2.12 -2.389029588e+00 -2.389029588e+00 2.14 -2.626423495e+00 -2.626423495e+00 2.16 -2.838876558e+00 -2.838876558e+00 2.18 -3.028233788e+00 -3.028233788e+00 2.20 -3.196212388e+00 -3.196212388e+00 2.22 -3.344410782e+00 -3.344410782e+00 2.24 -3.390312979e+00 -3.390312979e+00 2.26 -3.509453364e+00 -3.509453364e+00 2.28 -3.612529312e+00 -3.612529312e+00 2.30 -3.700773951e+00 -3.700773951e+00 2.32 -3.775335329e+00 -3.775335329e+00 2.34 -3.837282272e+00 -3.837282272e+00 2.36 -3.887609817e+00 -3.887609817e+00 2.38 -3.927244258e+00 -3.927244258e+00 2.40 -3.957047835e+00 -3.957047835e+00 2.42 -3.977823085e+00 -3.977823085e+00 2.44 -3.902656001e+00 -3.902656001e+00 2.46 -3.913432238e+00 -3.913432238e+00 2.48 -3.916877335e+00 -3.916877335e+00 2.50 -3.913618657e+00 -3.913618657e+00 2.52 -3.822046361e+00 -3.822046361e+00 2.54 -3.812467987e+00 -3.812467987e+00 2.56 -3.797466300e+00 -3.797466300e+00 2.58 -3.777533017e+00 -3.777533017e+00 2.60 -3.753125219e+00 -3.753125219e+00 2.62 -3.724667647e+00 -3.724667647e+00 2.64 -3.692554849e+00 -3.692554849e+00 2.66 -3.657153191e+00 -3.657153191e+00 2.68 -3.618802723e+00 -3.618802723e+00 2.70 -3.577818929e+00 -3.577818929e+00 2.72 -3.534494360e+00 -3.534494360e+00 2.74 -3.467874862e+00 -3.467874862e+00 2.76 -3.421937782e+00 -3.421937782e+00 2.78 -3.374338365e+00 -3.374338365e+00 2.80 -3.325296231e+00 -3.325296231e+00 2.82 -3.275014488e+00 -3.275014488e+00 2.84 -3.223680826e+00 -3.223680826e+00 2.86 -3.171468550e+00 -3.171468550e+00 2.88 -3.118537542e+00 -3.118537542e+00 2.90 -3.065035161e+00 -3.065035161e+00 2.92 -3.011097080e+00 -3.011097080e+00 2.94 -2.956848081e+00 -2.956848081e+00 2.96 -2.902402782e+00 -2.902402782e+00 2.98 -2.847866333e+00 -2.847866333e+00 3.00 -2.793335052e+00 -2.793335052e+00 3.02 -2.738897035e+00 -2.738897035e+00 3.04 -2.684632712e+00 -2.684632712e+00 3.06 -2.630615380e+00 -2.630615380e+00 3.08 -2.576911690e+00 -2.576911690e+00 3.10 -2.523582111e+00 -2.523582111e+00 3.12 -2.470681362e+00 -2.470681362e+00 3.14 -2.418258813e+00 -2.418258813e+00 3.16 -2.337910262e+00 -2.337910262e+00 3.18 -2.288059576e+00 -2.288059576e+00 3.20 -2.238729364e+00 -2.238729364e+00 3.22 -2.189955132e+00 -2.189955132e+00 3.24 -2.141768489e+00 -2.141768489e+00 3.26 -2.094197431e+00 -2.094197431e+00 3.28 -2.047266597e+00 -2.047266597e+00 3.30 -1.916241347e+00 -1.916241347e+00 3.32 -1.874905473e+00 -1.874905473e+00 3.34 -1.834053488e+00 -1.834053488e+00 3.36 -1.793709435e+00 -1.793709435e+00 3.38 -1.753894565e+00 -1.753894565e+00 3.40 -1.714627532e+00 -1.714627532e+00 3.42 -1.675924584e+00 -1.675924584e+00 3.44 -1.637799734e+00 -1.637799734e+00 3.46 -1.600264925e+00 -1.600264925e+00 3.48 -1.563330183e+00 -1.563330183e+00 3.50 -1.527003761e+00 -1.527003761e+00 3.52 -1.491292272e+00 -1.491292272e+00 3.54 -1.456200814e+00 -1.456200814e+00 3.56 -1.421733091e+00 -1.421733091e+00 3.58 -1.387891520e+00 -1.387891520e+00 3.60 -1.354677334e+00 -1.354677334e+00 3.62 -1.322090682e+00 -1.322090682e+00 3.64 -1.290130711e+00 -1.290130711e+00 3.66 -1.258795660e+00 -1.258795660e+00 3.68 -1.228082929e+00 -1.228082929e+00 3.70 -1.197989160e+00 -1.197989160e+00 3.72 -1.168510299e+00 -1.168510299e+00 3.74 -1.139641666e+00 -1.139641666e+00 3.76 -1.111378008e+00 -1.111378008e+00 3.78 -1.083713561e+00 -1.083713561e+00 3.80 -1.056642094e+00 -1.056642094e+00 3.82 -1.030156966e+00 -1.030156966e+00 3.84 -1.004251164e+00 -1.004251164e+00 3.86 -9.350538042e-01 -9.350538042e-01 3.88 -9.121648623e-01 -9.121648623e-01 3.90 -8.897521123e-01 -8.897521123e-01 3.92 -8.678108470e-01 -8.678108470e-01 3.94 -8.463360287e-01 -8.463360287e-01 3.96 -8.253223235e-01 -8.253223235e-01 3.98 -8.047641331e-01 -8.047641331e-01 4.00 -7.846556252e-01 -7.846556252e-01 4.02 -7.649907604e-01 -7.649907604e-01 4.04 -7.457633187e-01 -7.457633187e-01 4.06 -7.269669231e-01 -7.269669231e-01 4.08 -7.085950622e-01 -7.085950622e-01 4.10 -6.906411108e-01 -6.906411108e-01 4.12 -6.730983488e-01 -6.730983488e-01 4.14 -6.559599794e-01 -6.559599794e-01 4.16 -6.392191455e-01 -6.392191455e-01 4.18 -6.228689445e-01 -6.228689445e-01 4.20 -6.069024431e-01 -6.069024431e-01 4.22 -5.913126895e-01 -5.913126895e-01 4.24 -5.760927260e-01 -5.760927260e-01 4.26 -5.612355993e-01 -5.612355993e-01 4.28 -5.467343715e-01 -5.467343715e-01 4.30 -5.325821284e-01 -5.325821284e-01 4.32 -5.187719888e-01 -5.187719888e-01 4.34 -5.052971116e-01 -5.052971116e-01 4.36 -4.921507033e-01 -4.921507033e-01 4.38 -4.793260241e-01 -4.793260241e-01 4.40 -4.668163940e-01 -4.668163940e-01 4.42 -4.546151976e-01 -4.546151976e-01 4.44 -4.427158896e-01 -4.427158896e-01 4.46 -4.311119981e-01 -4.311119981e-01 4.48 -4.197971292e-01 -4.197971292e-01 4.50 -4.087649699e-01 -4.087649699e-01 4.52 -3.980092912e-01 -3.980092912e-01 4.54 -3.875239507e-01 -3.875239507e-01 4.56 -3.773028948e-01 -3.773028948e-01 4.58 -3.673401609e-01 -3.673401609e-01 4.60 -3.576298787e-01 -3.576298787e-01 4.62 -3.481662719e-01 -3.481662719e-01 4.64 -3.389436590e-01 -3.389436590e-01 4.66 -3.299564544e-01 -3.299564544e-01 4.68 -3.211991692e-01 -3.211991692e-01 4.70 -3.126664113e-01 -3.126664113e-01 4.72 -3.043528862e-01 -3.043528862e-01 4.74 -2.962533964e-01 -2.962533964e-01 4.76 -2.883628422e-01 -2.883628422e-01 4.78 -2.806762209e-01 -2.806762209e-01 4.80 -2.731886268e-01 -2.731886268e-01 4.82 -2.658952506e-01 -2.658952506e-01 4.84 -2.587913789e-01 -2.587913789e-01 4.86 -2.518723937e-01 -2.518723937e-01 4.88 -2.451337715e-01 -2.451337715e-01 4.90 -2.385710824e-01 -2.385710824e-01 4.92 -2.321799894e-01 -2.321799894e-01 4.94 -2.259562476e-01 -2.259562476e-01 4.96 -2.198957026e-01 -2.198957026e-01 4.98 -2.139942901e-01 -2.139942901e-01 5.00 -2.082480340e-01 -2.082480340e-01 5.02 -2.026530462e-01 -2.026530462e-01 5.04 -1.972055246e-01 -1.972055246e-01 5.06 -1.919017520e-01 -1.919017520e-01 5.08 -1.867380953e-01 -1.867380953e-01 5.10 -1.817110036e-01 -1.817110036e-01 5.12 -1.768170074e-01 -1.768170074e-01 5.14 -1.720527168e-01 -1.720527168e-01 5.16 -1.674148206e-01 -1.674148206e-01 5.18 -1.629000847e-01 -1.629000847e-01 5.20 -1.585053506e-01 -1.585053506e-01 5.22 -1.542275345e-01 -1.542275345e-01 5.24 -1.500636256e-01 -1.500636256e-01 5.26 -1.460106847e-01 -1.460106847e-01 5.28 -1.420658430e-01 -1.420658430e-01 5.30 -1.382263007e-01 -1.382263007e-01 5.32 -1.344893256e-01 -1.344893256e-01 5.34 -1.308522518e-01 -1.308522518e-01 5.36 -1.273124782e-01 -1.273124782e-01 5.38 -1.238674677e-01 -1.238674677e-01 5.40 -1.205147451e-01 -1.205147451e-01 5.42 -1.172518964e-01 -1.172518964e-01 5.44 -1.140765672e-01 -1.140765672e-01 5.46 -8.920643159e-02 -8.920643159e-02 5.48 -8.686388793e-02 -8.686388793e-02 5.50 -8.458195713e-02 -8.458195713e-02 5.52 -8.235911894e-02 -8.235911894e-02 5.54 -8.019388868e-02 -8.019388868e-02 5.56 -7.808481649e-02 -7.808481649e-02 5.58 -7.603048664e-02 -7.603048664e-02 5.60 -7.402951694e-02 -7.402951694e-02 5.62 -7.208055796e-02 -7.208055796e-02 5.64 -7.018229246e-02 -7.018229246e-02 5.66 -6.833343467e-02 -6.833343467e-02 5.68 -6.653272967e-02 -6.653272967e-02 5.70 -6.477895275e-02 -6.477895275e-02 5.72 -6.307090876e-02 -6.307090876e-02 5.74 -6.140743149e-02 -6.140743149e-02 5.76 -5.978738307e-02 -5.978738307e-02 5.78 -5.820965331e-02 -5.820965331e-02 5.80 -5.667315915e-02 -5.667315915e-02 5.82 -5.517684406e-02 -5.517684406e-02 5.84 -5.371967742e-02 -5.371967742e-02 5.86 -5.230065398e-02 -5.230065398e-02 5.88 -5.091879330e-02 -5.091879330e-02 5.90 -4.957313916e-02 -4.957313916e-02 5.92 -4.826275903e-02 -4.826275903e-02 5.94 -4.698674355e-02 -4.698674355e-02 5.96 -4.574420598e-02 -4.574420598e-02 5.98 -4.453428169e-02 -4.453428169e-02 6.00 -4.335612764e-02 -4.335612764e-02